CID 114494

13307-34-1

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC(C1CC2CC1C=C2)O

InChI

InChI=1S/C9H14O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,6-10H,4-5H2,1H3

InChIKey

OVEARCWULHSQDS-UHFFFAOYSA-N

Compound name

1-(2-bicyclo[2.2.1]hept-5-enyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 138.10446 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.111736	132.4
[M+Na]+	161.093678	139.6
[M-H]-	137.097184	134.1
[M+NH4]+	156.138283	158.7
[M+K]+	177.067618	137.7
[M+H-H2O]+	121.101720	128.7
[M+HCOO]-	183.102661	152.8
[M+CH3COO]-	197.118311	172.6
[M+Na-2H]-	159.079126	135.4
[M]+	138.10391142	130.9
[M]-	138.10500858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe